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	hartrees
Energy at 0K	-226.714472
Energy at 298.15K	-226.717827
HF Energy	-226.714472
Nuclear repulsion energy	79.938580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3789	3624	3.36
2	A	1421	1359	31.67
3	A	1004	961	3.24
4	A	561	537	23.10
5	A	373	357	125.64
6	B	3785	3621	65.29
7	B	1430	1368	47.26
8	B	901	862	80.22
9	B	431	412	101.31

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.594
O2	0.000	1.122	-0.244
O3	0.000	-1.122	-0.244
H4	-0.949	1.191	-0.422
H5	0.949	-1.191	-0.422

	O1	O2	O3	H4	H5
O1		1.4007	1.4007	1.8313	1.8313
O2	1.4007		2.2440	0.9681	2.5068
O3	1.4007	2.2440		2.5068	0.9681
H4	1.8313	0.9681	2.5068		3.0464
H5	1.8313	2.5068	0.9681	3.0464

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	99.648		O1	O3	H5	99.648
O2	O1	O3	106.452

All results from a given calculation for H₂O₃ (Hydrogen trioxide)

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	O	-0.064
2	O	-0.202
3	O	-0.202
4	H	0.234
5	H	0.234

	x	y	z	Total
	0.000	0.000	-0.971	0.971
CHELPG
AIM
ESP

	x	y	z
x	2.659	-0.338	0.000
y	-0.338	4.094	0.000
z	0.000	0.000	2.758

<r²>	39.522
(<r²>)^1/2	6.287

All results from a given calculation for H2O3 (Hydrogen trioxide)

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂O₃ (Hydrogen trioxide)